SCHEMBL6721143

SCHEMBL6721143

O=[N+]([O-])c1ccc(C2=NCCc3cc(F)ccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 5/20 0.51
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA7 P43166 5/20 0.46
CA9 Q16790 5/20 0.46
CA14 Q9ULX7 5/20 0.46
AR P10275 1/20 0.41
MAPK14 Q16539 2/20 0.39
GCGR P47871 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSPB1 P04792 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6724564 0.90 MAPK10 (0.48) MAPK10CA1CA2CA7CA9
SCHEMBL6718815 0.86 MAPK10 (0.51) MAPK10MAPK14LMNAMAPK9SMN1; SMN2
SCHEMBL6717950 0.84 CA1 (0.44) MAPK10CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL6715145 0.83 CA1 (0.48) MAPK10CA1CA2CA7CA9
SCHEMBL6716592 0.81 MAPT (0.46) MAPK10CA1CA2CA7CA9
SCHEMBL6720528 0.79 MAPK10 (0.53) MAPK10CA1CA2CA7CA9
SCHEMBL3073686 0.77 MAPK10 (0.51) MAPK10CA1CA2CA7CA9
SCHEMBL6718578 0.76 MAPK10 (0.43) MAPK10CA1CA2CA7CA9
SCHEMBL6779933 0.76 MAPK10 (0.48) MAPK10MAPK14LMNAMAPK9SMN1; SMN2
SCHEMBL22776237 0.74 CA1 (0.56) MAPK10CA1CA2CA7CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818651-B2 ANTIINFLAMMATORY, ANTIASTHMATIC, SKIN, AND AUTOIMMUNE DISORDERS; CROHN*S DISEASE, ULCERATIVE COLITIS, CONJUCTIVITIS, MULTIPLE SCLEROSIS, AND RHEUMATOID ARTHRITIS; CHRONIC OBSTRUCTIVE PULMONARY DISEASE ALTANA PHARMA AG (DE) 2004-11-16 US disclosed
US-20040044212-A1 (Dihydro) Isoquinoline derivatives as phosphodiesterase inhibitors ALTANA PHARMA AG (DE) 2004-03-04 US disclosed
EP-1337515-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2003-08-27 EP disclosed
WO-2002040450-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS ALTANA PHARMA AG (DE) 2002-05-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040044212-A1 (Dihydro) Isoquinoline derivatives as phosphodiesterase inhibitors PDE7B, PDE3B, PDE3A MAPK10 1836/4885CA1 3607/4885CA2 841/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.